Geometry & MOs

Info

ID:	150048
PubChem CID:	53789733
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	469.155705
ΔH_f, kcal/mol:	-30.52
Dipole, Da:	2.57
IP(EA), eV:	-8.3(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-(6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carbonyl)phenyl]-N,2-dimethylbenzamide

Drug info:

PubChemData

Smile

C[C@@]12CCCCCC(=CC3=C1C=C(C=C3)O)[C@@H]2N

DOS

IR

Vibrations